Re: [ccp4bb]: strategy

[Garib Murshudov <garib@ysbl.york.ac.uk>]

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Hi,

In these case use

MAKE CHECK NONE

or ccp4i's Do not check anything. in Setup restraint option.

Garib

Tom Lee wrote:

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>
> Hi,
>
> I have a question regarding refmac5.  I found the entry for my ligand in the
> standard library mon_lib.cif.  However, refmac5 complains "program cannot
> match the library description..." and creates a new description for this
> ligand.  Using ccp4i, I generated a pdb file of this ligand using the entry
> in the standard library and run refmac5 on this file and got the same
> result. I checked and made sure that the residue name, atom names and even
> the postion and spacing of the atom names in the pdb records are all
> matched.  Most of the description written by refmac5 is wrong, including
> links, bond length, bond angles.  Why can't refmac5 find a ligand generated
> from its own library?  Can anyone tell me what's wrong?  In the standard
> library, the ligand has a name of FS4.
>
> Tom

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Garib N. Murshudov, Chemistry Department, University of York, U.K.
Tel: Home +44 (1904) 42 62 87, work:  +44 (1904) 43 25 65
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